Vitas-M small molecule compound
N-(4-{[(8xi,9xi,14xi)-17-hydroxy-3,20-dioxopregn-4-en-21-yl]oxy}-4-oxobutanoyl)tryptophan
Catalog ID
STL537042
SMILES O=C(NC(C(=O)O)Cc1c[nH]c2c1cccc2)CCC(=O)OCC(=O)[C@@]1(O)CCC2[C@]1(C)CCC1C2CCC2=CC(=O)CC[C@]12C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C36H44N2O8 MW 632.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H44N2O8/c1-34-14-11-23(39)18-22(34)7-8-25-26(34)12-15-35(2)27(25)13-16-36(35,45)30(40)20-46-32(42)10-9-31(41)38-29(33(43)44)17-21-19-37-28-6-4-3-5-24(21)28/h3-6,18-19,25-27,29,37,45H,7-17,20H2,1-2H3,(H,38,41)(H,43,44)/t25?,26?,27?,29?,34-,35-,InChIKey
UKINYVGFZOXIDE-APUQVEFUSA-NSynonyms
16403873
2((4(2((10~(R)13~(S)17~(R))17hydroxy1013dimethyl3oxo267891112141516decahydro1~(H)cyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanoyl)amino)3(1~(H)indol3yl)propanoicacid
2(4(2((10R13S17R)17hydroxy1013dimethyl3oxo2367891011121314151617tetradecahydro1Hcyclopenta(a)phenanthren17yl)2oxoethoxy)4oxobutanamido)3(1Hindol3yl)propanoicacid
InChI=1SC36H44N2O8c134141123(39)1822(34)782526(34)121535(2)27(25)131636(3545)30(40)204632(42)10931(41)3829(33(43)44)1721193728643524(21)28h3618192527293745H71720H212H3(H3841)(H4344)t25?26?27?29?343536m0s1
MFCD06765491
N(4(((8xi9xi14xi)17hydroxy320dioxopregn4en21yl)oxy)4oxobutanoyl)tryptophan
O=C(NC(C(=O)O)Cc1c(nH)c2c1cccc2)CCC(=O)OCC(=O)(C@@)1(O)CCC2(C@)1(C)CCC1C2CCC2=CC(=O)CC(C@)12C
ZINC000070699578
ZINC000253502406
Check stock
See real-time availability and sample size for STL537042 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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